3-methoxy-2,2,4,4,9,9-hexamethyldecane

C17H36O — CID 58982174

IUPAC3-methoxy-2,2,4,4,9,9-hexamethyldecane
SMILESCOC(C(C)(C)C)C(C)(C)CCCCC(C)(C)C
InChIInChI=1S/C17H36O/c1-15(2,3)12-10-11-13-17(7,8)14(18-9)16(4,5)6/h14H,10-13H2,1-9H3
InChIKeySVFHTZLEHSDQTC-UHFFFAOYSA-N
MW256.47 g/mol
LogP5.68
Rot. Bonds6

About 3-methoxy-2,2,4,4,9,9-hexamethyldecane

3-methoxy-2,2,4,4,9,9-hexamethyldecane (PubChem CID 58982174) has the molecular formula C17H36O and a molecular weight of 256.47 g/mol. Its IUPAC name is 3-methoxy-2,2,4,4,9,9-hexamethyldecane.

Molecular Properties

Compound Name3-methoxy-2,2,4,4,9,9-hexamethyldecane
PubChem CID58982174
Molecular FormulaC17H36O
Molecular Weight256.47 g/mol
Exact Mass256.28
IUPAC Name3-methoxy-2,2,4,4,9,9-hexamethyldecane
SMILESCOC(C(C)(C)C)C(C)(C)CCCCC(C)(C)C
InChIInChI=1S/C17H36O/c1-15(2,3)12-10-11-13-17(7,8)14(18-9)16(4,5)6/h14H,10-13H2,1-9H3
InChIKeySVFHTZLEHSDQTC-UHFFFAOYSA-N
XLogP5.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.47
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,2,4,4,9,9-hexamethyldecane?
The IUPAC name of 3-methoxy-2,2,4,4,9,9-hexamethyldecane (CID 58982174) is 3-methoxy-2,2,4,4,9,9-hexamethyldecane.
What is the SMILES notation for 3-methoxy-2,2,4,4,9,9-hexamethyldecane?
The canonical SMILES for 3-methoxy-2,2,4,4,9,9-hexamethyldecane is COC(C(C)(C)C)C(C)(C)CCCCC(C)(C)C.
What is the InChIKey of 3-methoxy-2,2,4,4,9,9-hexamethyldecane?
The InChIKey is SVFHTZLEHSDQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O/c1-15(2,3)12-10-11-13-17(7,8)14(18-9)16(4,5)6/h14H,10-13H2,1-9H3.
What are the key properties of 3-methoxy-2,2,4,4,9,9-hexamethyldecane?
3-methoxy-2,2,4,4,9,9-hexamethyldecane has a molecular weight of 256.47 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2,4,4,9,9-hexamethyldecane is sourced from PubChem (CID 58982174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).